N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]pentanamide

C17H24N2O2 — CID 86980028

IUPACN-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1c(C)cccc1C(=O)N1CCCC1
InChIInChI=1S/C17H24N2O2/c1-3-4-10-15(20)18-16-13(2)8-7-9-14(16)17(21)19-11-5-6-12-19/h7-9H,3-6,10-12H2,1-2H3,(H,18,20)
InChIKeyDMIAFNGBGFISNR-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.36
Rot. Bonds5

About N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]pentanamide

N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]pentanamide (PubChem CID 86980028) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]pentanamide
PubChem CID86980028
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1c(C)cccc1C(=O)N1CCCC1
InChIInChI=1S/C17H24N2O2/c1-3-4-10-15(20)18-16-13(2)8-7-9-14(16)17(21)19-11-5-6-12-19/h7-9H,3-6,10-12H2,1-2H3,(H,18,20)
InChIKeyDMIAFNGBGFISNR-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 30336776
2-(hexadecanoylamino)-3-methylbenzoic acid
CID 12800042
N-[2-(piperidine-1-carbonyl)phenyl]hexanamide
CID 4953779
N-[2-(azepane-1-carbonyl)phenyl]octanamide
CID 4958626
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
4-methyl-4-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid
CID 122075475
N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55778110
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 86980040
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55672468
N-[1-(2-methylbenzoyl)piperidin-4-yl]pentanamide
CID 110820234
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55643698
2,5-dichloro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55643315

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]pentanamide?
The IUPAC name of N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]pentanamide (CID 86980028) is N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]pentanamide.
What is the SMILES notation for N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]pentanamide?
The canonical SMILES for N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]pentanamide is CCCCC(=O)Nc1c(C)cccc1C(=O)N1CCCC1.
What is the InChIKey of N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]pentanamide?
The InChIKey is DMIAFNGBGFISNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-4-10-15(20)18-16-13(2)8-7-9-14(16)17(21)19-11-5-6-12-19/h7-9H,3-6,10-12H2,1-2H3,(H,18,20).
What are the key properties of N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]pentanamide?
N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]pentanamide has a molecular weight of 288.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]pentanamide is sourced from PubChem (CID 86980028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).